N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide

C13H16N2O3S — CID 3609627

IUPACN-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H16N2O3S/c1-4-15(12-8-6-5-7-9-12)19(16,17)13-10(2)14-18-11(13)3/h5-9H,4H2,1-3H3
InChIKeyHAAIFLOYMHKYTD-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide

N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide (PubChem CID 3609627) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
PubChem CID3609627
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H16N2O3S/c1-4-15(12-8-6-5-7-9-12)19(16,17)13-10(2)14-18-11(13)3/h5-9H,4H2,1-3H3
InChIKeyHAAIFLOYMHKYTD-UHFFFAOYSA-N
XLogP2.51
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide (CID 3609627) is N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HAAIFLOYMHKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-15(12-8-6-5-7-9-12)19(16,17)13-10(2)14-18-11(13)3/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3609627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).